Gadolinium in PDB 5f6t: Structure of Calexcitin-GD3+ Complex.

The structure of Structure of Calexcitin-GD3+ Complex., PDB code: 5f6t was solved by L.Chataigner, J.Guo, P.T.Erskine, A.R.Coker, S.P.Wood, J.B.Cooper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.35 / 2.20
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	77.020, 77.020, 29.260, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 30.4

The structure of Structure of Calexcitin-GD3+ Complex. also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Gadolinium atom in the Structure of Calexcitin-GD3+ Complex. (pdb code 5f6t). This binding sites where shown within 5.0 Angstroms radius around Gadolinium atom.
In total only one binding site of Gadolinium was determined in the Structure of Calexcitin-GD3+ Complex., PDB code: 5f6t:

Gadolinium binding site 1 out of 1 in the Structure of Calexcitin-GD3+ Complex.


Mono view


Stereo pair view

A full contact list of Gadolinium with other atoms in the Gd binding site number 1 of Structure of Calexcitin-GD3+ Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Gd201 b:66.3 occ:1.00 OD1 A:ASP34 2.3 68.8 1.0 OD2 A:ASP34 2.3 42.6 1.0 O A:VAL29 2.3 68.9 1.0 OD1 A:ASN25 2.4 66.9 1.0 OD1 A:ASP27 2.4 45.4 1.0 OD1 A:ASP23 2.5 70.9 1.0 CG A:ASP34 2.6 57.4 1.0 CG A:ASP27 3.1 67.3 1.0 CG A:ASN25 3.2 60.2 1.0 OD2 A:ASP27 3.4 48.1 1.0 C A:VAL29 3.5 41.7 1.0 ND2 A:ASN25 3.5 55.8 1.0 CG A:ASP23 3.5 55.1 1.0 CB A:ASP34 3.9 50.8 1.0 CA A:ASP23 4.0 42.1 1.0 OE1 A:GLU31 4.2 78.0 1.0 CA A:ILE30 4.3 49.3 1.0 N A:ILE30 4.3 40.5 1.0 CB A:ASP23 4.3 42.1 1.0 CG A:GLU31 4.3 60.1 1.0 N A:ASP27 4.3 46.7 1.0 OD2 A:ASP23 4.4 52.8 1.0 CB A:ASP27 4.4 48.4 1.0 N A:ASN25 4.4 47.1 1.0 N A:GLU31 4.4 50.4 1.0 C A:ASP23 4.5 51.5 1.0 N A:VAL29 4.5 43.5 1.0 CB A:ASN25 4.6 58.0 1.0 CA A:VAL29 4.6 42.0 1.0 N A:HIS26 4.6 54.2 1.0 N A:CYS24 4.6 58.2 1.0 C A:ILE30 4.7 48.8 1.0 CG2 A:VAL29 4.8 44.4 1.0 CD A:GLU31 4.8 72.6 1.0 CA A:ASP27 4.8 47.4 1.0 CA A:ASP34 4.9 45.0 1.0 CA A:ASN25 4.9 60.4 1.0 N A:ASP34 4.9 48.0 1.0 C A:ASN25 4.9 64.7 1.0

L.Chataigner, J.Guo, P.T.Erskine, A.R.Coker, S.P.Wood, Z.Gombos, J.B.Cooper. Binding of Gd(3+) to the Neuronal Signalling Protein Calexcitin Identifies An Exchangeable Ca(2+)-Binding Site. Acta Crystallogr.,Sect.F V. 72 276 2016.
ISSN: ESSN 2053-230X
PubMed: 27050260
DOI: 10.1107/S2053230X16003526